Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 4/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.43 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.43 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.43 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19401505 | 0.93 | ESR1 (0.64) | KIF11ESR1ESR2PTGS1NQO2 | |
| SCHEMBL57109 | 0.87 | KIF11 (0.84) | KIF11ESR1ESR2PTGS1NQO2 | |
| SCHEMBL28039722 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| Hydrochloric Acid SCHEMBL29242575 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| SCHEMBL11756670 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| SCHEMBL27509291 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| Hydrochloric Acid SCHEMBL18955872 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| Potassium SCHEMBL30655561 | 0.85 | KIF11 (0.80) | KIF11ESR1ESR2PTGS1NQO2 | |
| SCHEMBL1171482 | 0.84 | ESR1 (0.56) | KIF11ESR1ESR2LMNATSHR | |
| SCHEMBL8952160 | 0.82 | ESR1 (0.52) | KIF11ESR1ESR2PTGS1NQO2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006066569-A2 | IONOMERS AND IONOMER BLENDS BASED ON PARTIALLY FLUORINATED POLY(HETERO)ARYLS | HÄRING, Thomas (DE) | 2006-06-29 | — | — | WO | claimed |
| WO-2006066569-A2 | IONOMERS AND IONOMER BLENDS BASED ON PARTIALLY FLUORINATED POLY(HETERO)ARYLS | HÄRING, Thomas (DE) | 2006-06-29 | — | — | WO | disclosed |